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Hyperfine Structure Constants on the Relativistic Coupled Cluster Level with Associated Uncertainties

[Image: see text] Accurate predictions of hyperfine structure (HFS) constants are important in many areas of chemistry and physics, from the determination of nuclear electric and magnetic moments to benchmarking of new theoretical methods. We present a detailed investigation of the performance of th...

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Veröffentlicht in:J Phys Chem A
Hauptverfasser: Haase, Pi A. B., Eliav, Ephraim, Iliaš, Miroslav, Borschevsky, Anastasia
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2020
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7184561/
https://ncbi.nlm.nih.gov/pubmed/32202783
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.0c00877
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